(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate

Systemtic Name: (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate Openeye Name: (4-morpholino-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl] ester IUPAC Name: (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-morpholino-1,2,5-thiadiazol-3-yl) ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NSN=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NSN=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c18-13(9-1-3-10(4-2-9)17(19)20)22-12-11(14-23-15-12)16-5-7-21-8-6-16/h1-4H,5-8H2